4-N-[3-(trifluoromethyl)phenyl]quinazoline-4,6-diamine

C15H11F3N4 — CID 5328188

IUPAC4-N-[3-(trifluoromethyl)phenyl]quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(Nc3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C15H11F3N4/c16-15(17,18)9-2-1-3-11(6-9)22-14-12-7-10(19)4-5-13(12)20-8-21-14/h1-8H,19H2,(H,20,21,22)
InChIKeyDLVMGJPGJHCIJW-UHFFFAOYSA-N
MW304.28 g/mol
LogP3.97
Rot. Bonds2

About 4-N-[3-(trifluoromethyl)phenyl]quinazoline-4,6-diamine

4-N-[3-(trifluoromethyl)phenyl]quinazoline-4,6-diamine (PubChem CID 5328188) has the molecular formula C15H11F3N4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 4-N-[3-(trifluoromethyl)phenyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[3-(trifluoromethyl)phenyl]quinazoline-4,6-diamine
PubChem CID5328188
Molecular FormulaC15H11F3N4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name4-N-[3-(trifluoromethyl)phenyl]quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(Nc3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C15H11F3N4/c16-15(17,18)9-2-1-3-11(6-9)22-14-12-7-10(19)4-5-13(12)20-8-21-14/h1-8H,19H2,(H,20,21,22)
InChIKeyDLVMGJPGJHCIJW-UHFFFAOYSA-N
XLogP3.97
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-Aminoquinazoline
CID 84759
6-Aminoquinazoline
CID 589288
Spautin-1
CID 51037431
Ngd-8243
CID 11247522
2,4-Diaminoquinazoline
CID 65087
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
N4-(3-Bromophenyl)quinazoline-4,6-diamine
CID 5328042
2,4,6-Triaminoquinazoline
CID 292661
Pd 168393
CID 4708
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
N-(4-Phenylamino-quinazolin-6-YL)-acrylamide
CID 10401956

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(trifluoromethyl)phenyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-[3-(trifluoromethyl)phenyl]quinazoline-4,6-diamine (CID 5328188) is 4-N-[3-(trifluoromethyl)phenyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[3-(trifluoromethyl)phenyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-[3-(trifluoromethyl)phenyl]quinazoline-4,6-diamine is Nc1ccc2ncnc(Nc3cccc(C(F)(F)F)c3)c2c1.
What is the InChIKey of 4-N-[3-(trifluoromethyl)phenyl]quinazoline-4,6-diamine?
The InChIKey is DLVMGJPGJHCIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4/c16-15(17,18)9-2-1-3-11(6-9)22-14-12-7-10(19)4-5-13(12)20-8-21-14/h1-8H,19H2,(H,20,21,22).
What are the key properties of 4-N-[3-(trifluoromethyl)phenyl]quinazoline-4,6-diamine?
4-N-[3-(trifluoromethyl)phenyl]quinazoline-4,6-diamine has a molecular weight of 304.28 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(trifluoromethyl)phenyl]quinazoline-4,6-diamine is sourced from PubChem (CID 5328188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).